Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-113042
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['As', 'Xe', 'O', 'F']
  • Chemical System: As-F-O-Xe
  • Density: 4.063055268651624
  • Atomic Density: 0.06302883586993499
  • Unit Cell Volume: 444.24110985930673
  • Molar Volume: 9.554580339112032
  • Full Formula: As2 Xe4 O2 F20
  • Reduced Formula: AsXe2OF10
  • Formula Anonymous: ABC2D10
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm